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HDAC8-IN-11

CAT: 0804-HY-163921Size: 1 EachDry Ice: NoHazardous: No
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Description
HDAC8-IN-11 is a ligand for target protein for pROTAC.
CAS Number
3035977-24-0
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hdac8-in-11.html
Smiles
O=C(C)NCC1=CC=C(C(NNCCCCCC)=O)C=C1
Molecular Formula
C16H25N3O2
Molecular Weight
291.39
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hdac8-IN-11
CAS Number3035977-24-0
PubChem CID168281522
IUPAC NameN-[[4-[(hexylamino)carbamoyl]phenyl]methyl]acetamide
Molecular FormulaC16H25N3O2
Molecular Weight291.39
XLogP2.4
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity313
SMILES
CCCCCCNNC(=O)C1=CC=C(C=C1)CNC(=O)C
InChI
InChI=1S/C16H25N3O2/c1-3-4-5-6-11-18-19-16(21)15-9-7-14(8-10-15)12-17-13(2)20/h7-10,18H,3-6,11-12H2,1-2H3,(H,17,20)(H,19,21)
InChIKey
WVSZQHAMBUUAOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac8-IN-11
CAS: 3035977-24-0
CID: 168281522
Formula: C16H25N3O2
MW: 291.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.39
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass291.19467705
Monoisotopic Mass291.19467705
Topological Polar Surface Area70.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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